SCHEMBL9505982

SCHEMBL9505982

NC[C@H]1CC[C@@H](OC(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.54
PLAT P00750 1/20 0.54
LMNA P02545 1/20 0.54
TPSAB1 Q15661 1/20 0.42
TPSD1 Q9BZJ3 1/20 0.42
TPSG1 Q9NRR2 1/20 0.42
CYP2D6 P10635 1/20 0.40
F2 P00734 1/20 0.36
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
NCF1 P14598 1/20 0.32
CYP19A1 P11511 1/20 0.32
GABRR1 P24046 4/20 0.31
TDP1 Q9NUW8 1/20 0.31
GABRR2 P28476 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
ALOX5 P09917 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9506281 1.00 PLG (0.54) PLGPLATLMNATPSAB1TPSD1
SCHEMBL19924308 0.84 PLG (0.50) PLGPLATLMNATPSAB1TPSD1
SCHEMBL9506245 0.83 PLG (0.36) PLGPLATLMNATPSAB1TPSD1
SCHEMBL9504427 0.83 PLG (0.36) PLGPLATLMNATPSAB1TPSD1
SCHEMBL28726529 0.83 PLG (0.48) PLGPLATLMNATPSAB1TPSD1
SCHEMBL28563135 0.83 PLG (0.48) PLGPLATLMNATPSAB1TPSD1
SCHEMBL28563130 0.83 PLG (0.48) PLGPLATLMNATPSAB1TPSD1
SCHEMBL11213691 0.82 KMT2A (0.35) PLGPLATLMNASLC1A3SLC1A2
SCHEMBL6457901 0.81 LMNA (0.47) PLGPLATLMNATPSAB1TPSD1
SCHEMBL126557 0.81 SERPINE1 (0.38)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0329105-B1 MOLECULAR WEIGHT CONTROLLER FOR POLYMERIZATION OF LACTAMS TO POLYAMIDES BASF Corporation (US) 1993-07-07 EP claimed